Structure of PDB 5y0n Chain A Binding Site BS01

Receptor Information
>5y0n Chain A (length=401) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAVGLVVEYNPFHNGHLYHAQTAKLQTGCDTAVAVMSGHFLQRGEPAVV
SKWARTKMALQSGVDLVIELPYLYAVQKADIFARGSVSILNELECEALFF
GSENGDIKPFLETAQLIDEHKHILNDRIKEELKKGASYPAAAAIAFSSIL
HTESALDLSKPNNILGYQYVTSILTGGYPMKPYTTARINHIASATSIRKA
MIGQNLEACLRFLPAASARELAAYRKSFGLWHTPESYFSYLKYSLSTVTA
RELQQVYEVEEGLEHRIIRSIRKSSSYQEFMELLKTKRYTWTRLQRMNTH
ILTRTKKQDMQKLLDNDKAPYIRLLGMTKKGQAYLSEKKKALSVPLVSKL
SSFSHPALDLDVKASRIYSLPIEEPLRTEFDLQEYGHAPIRYDEDEQHFL
N
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5y0n Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5y0n Acetate-dependent tRNA acetylation required for decoding fidelity in protein synthesis.
Resolution2.302 Å
Binding residue
(original residue number in PDB)		V8 Y10 G16 H17 Y19 H20 G101 N162 R187 I188
Binding residue
(residue number reindexed from 1)		V8 Y10 G16 H17 Y19 H20 G101 N162 R187 I188
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.4.-
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5y0n, PDBe:5y0n, PDBj:5y0n
PDBsum5y0n
PubMed30150682
UniProtO34513|TMCAL_BACSU tRNA(Met) cytidine acetate ligase (Gene Name=tmcAL)

[Back to BioLiP]